Summary

IMPPAT Phytochemical identifier: IMPHY001442

Phytochemical name: Pteroside P

Synonymous chemical names:
pteroside p

External chemical identifiers:
CID:148715, ChEBI:175971, ZINC:ZINC000006068807

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](OCCc2c(CO)cc3c(c2C)C(=O)[C@H](C3)C)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C20H28O8/c1-9-5-11-6-12(7-21)13(10(2)15(11)16(9)23)3-4-27-20-19(26)18(25)17(24)14(8-22)28-20/h6,9,14,17-22,24-26H,3-5,7-8H2,1-2H3/t9-,14+,17+,18-,19+,20+/m0/s1

InChIKey:
MTMPFCKKJBWSKK-CLRHFXFDSA-N

DeepSMILES:
OC[C@H]O[C@@H]OCCccCO))cccc6C))C=O)[C@H]C5)C)))))))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, CO[C@@H](C)OC, cC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCc2ccc(CCOC3CCCCO3)cc21

Scaffold Graph/Node level:
OC1CCC2CCC(CCOC3CCCCO3)CC12

Scaffold Graph level:
CC1CCC2CCC(CCCC3CCCCC3)CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Illudalane sesquiterpenoids

NP-Likeness score: 2.362

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Chemical structure download